3-formyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile

3-formyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile

CAS: 1186404-95-4

Formula: C11H5F3N2O

SMILES: FC(F)(F)C1=C(C=C2C(C=O)=CNC2=C1)C#N

IUPAC: 3-formyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile

InChI: InChI=1S/C11H5F3N2O/c12-11(13,14)9-2-10-8(1-6(9)3-15)7(5-17)4-16-10/h1-2,4-5,16H

Composition: C (55.47%), H (2.12%), F (23.93%), N (11.76%), O (6.72%)

Molar Mass: 238.169

Atom Count: 22

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.035397278
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RKQBSHSPTCCKLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.42
Topological Polar Surface Area	56.65
Polarizability	20.36
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1186404-95-4		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69